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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > dongtinganthracene a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > dongtinganthracene a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > dongtinganthracene a

Preferred term

dongtinganthracene a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C34H36O14

inchi

  • InChI=1S/C34H36O14/c1-13-29(36)26-19(11-46-13)31(38)28(34(41)45-7)18(10-22(44-6)33(39)40)24(26)25-17-8-16(42-4)9-21(43-5)23(17)30(37)20-12-47-14(2)32(27(20)25)48-15(3)35/h8-10,13-14,29,32,36-38H,11-12H2,1-7H3,(H,39,40)/t13-,14-,29+,32+/m0/s1

inchikey

  • TWSMIOGAEIQZNE-AZUZWUQPSA-N

mass

  • 668.648

monoisotopicmass

  • 668.21051

smiles

  • O=C(OC)C1=C(O)C2=C([C@H](O)[C@H](C)OC2)C(=C1C=C(OC)C(=O)O)C=3C=4C(C(O)=C5C3[C@H](OC(=O)C)[C@H](C)OC5)=C(OC)C=C(C4)OC

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,4S)-5-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-4,8-dihydroxy-7-methoxycarbonyl-3-methyl-3,4-dihydro-1H-isochromen-6-yl]-2-methoxyprop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215401

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